Mellin Transform and Image Charge Method for Dielectric Sphere in an Electrolyte

Abstract

We revisit the image charge method for the Green's function problem of the Poisson-Boltzmann equation for a dielectric sphere immersed in ionic solutions. Using finite Mellin transformation, we represent the reaction potential due to a source charge inside the sphere in terms of one dimensional distribution of image charges. The image charges are generically composed of a point image at the Kelvin point and a line image extending from the Kelvin point to infinity with an oscillatory line charge strength. We further develop an efficient and accurate algorithm for discretization of the line image using Padé approximation and finite fraction expansion. Finally we illustrate the power of our method by applying it in a multiscale reaction-field Monte Carlo simulation of monovalent electrolytes.

20 pages, 7 figures, version to be published in SIAM J. Appl. Math